@<TRIPOS>MOLECULE
BindingDB_50181139
 48 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        22.9998   15.6402  105.7671  C     
2    C        21.7898   16.3410  105.7011  C     
3    C        20.6941   15.9231  106.4785  C     
4    C        20.7497   14.7844  107.3359  C     
5    C        21.9805   14.0493  107.3314  C     
6    C        23.0905   14.4783  106.5618  C     
7    C        19.6153   14.4547  108.1337  C     
8    C        18.4691   15.3268  108.2866  C     
9    N        17.5581   14.6506  109.1396  N     
10   C        18.1371   13.4206  109.5986  C     
11   C        19.3931   13.3724  108.8895  C     
12   C        18.3146   13.3867  111.0807  C     
13   C        19.1651   14.3021  111.7507  C     
14   C        19.2790   14.2825  113.1500  C     
15   C        18.5119   13.3826  113.9121  C     
16   C        17.6007   12.5227  113.2713  C     
17   C        17.5301   12.4983  111.8644  C     
18   C        16.3442   15.1161  109.4770  C     
19   C        15.7530   16.3875  109.0222  C     
20   O        15.6681   14.4582  110.2638  O     
21   F        22.1658   12.9491  108.0027  F     
22   F        21.7089   17.4064  104.9518  F     
23   O        16.7695   11.7439  114.0069  O     
24   C        15.7548   17.4198  110.1778  C     
25   N        14.3677   16.1927  108.5633  N     
26   C        16.9807   18.3414  110.3524  C     
27   C        15.6636   18.9184  109.8107  C     
28   H        23.8038   15.9412  105.2246  H     
29   H        19.8530   16.4954  106.4124  H     
30   H        23.9694   13.9640  106.5781  H     
31   H        18.7714   16.2803  108.7399  H     
32   H        18.0193   15.4953  107.3033  H     
33   H        17.5276   12.5794  109.2422  H     
34   H        20.0112   12.5928  108.9807  H     
35   H        19.7057   14.9897  111.2154  H     
36   H        19.9304   14.9160  113.6171  H     
37   H        18.5959   13.3802  114.9271  H     
38   H        16.8623   11.8709  111.4177  H     
39   H        16.2947   16.7837  108.1646  H     
40   H        15.9656   11.6045  113.4478  H     
41   H        15.2381   17.1726  111.1033  H     
42   H        14.3518   15.5208  107.7870  H     
43   H        13.9895   17.0860  108.2352  H     
44   H        13.7947   15.8438  109.3267  H     
45   H        17.2224   18.6522  111.3688  H     
46   H        17.7754   18.2758  109.6127  H     
47   H        15.6628   19.1645  108.7503  H     
48   H        15.0957   19.5416  110.5013  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   22 1
     5    3    4 2
     6    4    5 1
     7    4    7 1
     8    5    6 2
     9    5   21 1
    10    7    8 1
    11    7   11 2
    12    8    9 1
    13    9   10 1
    14    9   18 am
    15   10   11 1
    16   10   12 1
    17   12   13 2
    18   12   17 1
    19   13   14 1
    20   14   15 2
    21   15   16 1
    22   16   17 2
    23   16   23 1
    24   18   19 1
    25   18   20 2
    26   19   24 1
    27   19   25 1
    28   24   26 1
    29   24   27 1
    30   26   27 1
    31    1   28 1
    32    3   29 1
    33    6   30 1
    34    8   31 1
    35    8   32 1
    36   10   33 1
    37   11   34 1
    38   13   35 1
    39   14   36 1
    40   15   37 1
    41   17   38 1
    42   19   39 1
    43   23   40 1
    44   24   41 1
    45   25   42 1
    46   25   43 1
    47   25   44 1
    48   26   45 1
    49   26   46 1
    50   27   47 1
    51   27   48 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.1459
  Crash		| -0.9125
  Polar		| 0.8158
  FragIndex	| 1
  FragRMSD	| 0.334